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Chemical ID: 5101022
Chemical ID:
5101022
Name [?]:
2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl-trimethyl-ammonium
SMILES [?]:
C[N+](C)(C)CCOC(=O)C(c1ccccc1)(c2ccccc2)O
InChi [?]:
InChI=1/C19H24NO3/c1-20(2,3)14-15-23-18(21)19(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,22H,14-15H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,4,14,20,13,15,19,21,12,16,18,22,5,6,11,17,8,10,2,9,23,7/E:(1,2,3)(4,5)(6,7,8,9)(10,11,12,13)(16,17)/CRV:20+1/rA:23nCN+CCCCOCOCCCCCCCCCCCCCO/rB:s1;s2;s2;s2;s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s10;s17;d18;s19;d20;d17s21;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24NO3+ |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -17.5978 |
Area: | 511.206 |
Solvation: | -30.3779 |
Coulombic: | -17.6125 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 314.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.33 |
LogP (Chemaxon): | -1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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